SCHEMBL7317019

SCHEMBL7317019

CCOC(OCC)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCCS(C)(=O)=O)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.53
CMA1 P23946 1/20 0.43
ELANE P08246 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TGM2 P21980 4/20 0.41
ACE P12821 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
REN P00797 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7355181 0.94 MALT1 (0.59) MALT1CMA1ELANEITGB3ITGA2B
SCHEMBL7320223 0.93 MALT1 (0.51) MALT1CMA1ELANECASP1CASP3
SCHEMBL7313056 0.89 MALT1 (0.54) MALT1CMA1ELANECASP1CASP3
SCHEMBL7314571 0.89 MALT1 (0.50) MALT1CMA1ELANECASP1CASP3
SCHEMBL7320962 0.88 MALT1 (0.54) MALT1CMA1ELANEITGB3ITGA2B
SCHEMBL7317461 0.88 MALT1 (0.53) MALT1CMA1ELANEITGB3ITGA2B
SCHEMBL7316337 0.87 MALT1 (0.59) MALT1CMA1ELANEACEACE2
SCHEMBL7312695 0.87 MALT1 (0.52) MALT1CMA1ELANEITGB3ITGA2B
SCHEMBL7313441 0.87 MALT1 (0.52) MALT1CMA1ELANEITGB3ITGA2B
SCHEMBL7318839 0.87 MALT1 (0.52) MALT1CMA1ELANEITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed